SCHEMBL18360474

SCHEMBL18360474

O=C(NCc1ccccc1F)c1cc2c(cc1Cl)COB2O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA4 P22748 2/20 0.41
P2RX7 Q99572 1/20 0.41
PPARG P37231 1/20 0.40
ROCK2 O75116 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18360523 0.90 HPGD (0.48) HPGDALDH1A1MAPTTSHRCA12
SCHEMBL18354519 0.88 PTGES (0.47) CA12CA1CA2CA9P2RX7
SCHEMBL18360397 0.84 CA1 (0.60) CA12CA1CA2CA9CA4
SCHEMBL18360496 0.84 HPGD (0.59) HPGDALDH1A1MAPTTSHRCA12
SCHEMBL18360520 0.84 HSD17B13 (0.49) CA12CA1CA2CA9PPARG
SCHEMBL18354779 0.81 PTGES (0.47) HPGDCA12CA1CA2CA9
SCHEMBL18360445 0.80 CA1 (0.49) HPGDMAPTCA12CA1CA2
SCHEMBL18360482 0.78 PDE4A (0.52) HPGDALDH1A1CA12CA1CA2
SCHEMBL18360475 0.78 CA1 (0.56) MAPTCA12CA1CA2CA9
SCHEMBL18360483 0.78 CA1 (0.60) CA12CA1CA2CA9KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000133-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (SE) 2017-01-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170000133-A1 BENZOXABOROLE FUNGICIDES CYP4X1, BROX, CYP1B1 HPGD 2939/4885ALDH1A1 1143/4885MAPT 2010/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.